1,2,3,4-tetrahydro-1,3,5-triazine-2,4,6-triamine

C3H10N6 — CID 90706888

IUPAC1,2,3,4-tetrahydro-1,3,5-triazine-2,4,6-triamine
SMILESNC1=NC(N)NC(N)N1
InChIInChI=1S/C3H10N6/c4-1-7-2(5)9-3(6)8-1/h1-2,7H,4-5H2,(H3,6,8,9)
InChIKeyNASWSVOEPBZNCE-UHFFFAOYSA-N
MW130.16 g/mol
LogP-3.02
Rot. Bonds

About 1,2,3,4-tetrahydro-1,3,5-triazine-2,4,6-triamine

1,2,3,4-tetrahydro-1,3,5-triazine-2,4,6-triamine (PubChem CID 90706888) has the molecular formula C3H10N6 and a molecular weight of 130.16 g/mol. Its IUPAC name is 1,2,3,4-tetrahydro-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name1,2,3,4-tetrahydro-1,3,5-triazine-2,4,6-triamine
PubChem CID90706888
Molecular FormulaC3H10N6
Molecular Weight130.16 g/mol
Exact Mass130.10
IUPAC Name1,2,3,4-tetrahydro-1,3,5-triazine-2,4,6-triamine
SMILESNC1=NC(N)NC(N)N1
InChIInChI=1S/C3H10N6/c4-1-7-2(5)9-3(6)8-1/h1-2,7H,4-5H2,(H3,6,8,9)
InChIKeyNASWSVOEPBZNCE-UHFFFAOYSA-N
XLogP-3.02
TPSA114.48 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.16
LogP ≤ 5-3.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(3aR,7aR)-3,3a,4,6,7,7a-hexahydrothiopyrano[3,4-d]imidazol-2-amine
CID 155441884
bis(3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-2-amine);bis(2,2,2-trifluoroacetic acid)
CID 175705660
2,6-dimethyl-3,6-dihydro-2H-1,3,5-thiadiazin-4-amine
CID 12600795
(1R,5S,7R)-3-amino-2,4,6-triazabicyclo[3.2.1]oct-3-ene-7-carboxylic acid
CID 50918859
4-chloro-2-(2-fluoropropan-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-amine
CID 146674786
4,5-dihydro-3H-1,2,4-triazole-3,5-diamine
CID 70556670
(3aS,6aR)-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-amine
CID 67310454
4-(methoxymethyl)-6-methyl-1,4,5,6-tetrahydropyrimidin-2-amine
CID 146674814
(5S,6R)-2-amino-6-(hydroxymethyl)-1,4,5,6-tetrahydropyrimidine-4,5-diol
CID 10329575
2,3,6,7-tetrahydro-1H-purine-2,6-diamine
CID 59682514
6-ethyl-6-methyl-1,3a,4,5,6a,7,8,9,9a,9b-decahydroperimidin-2-amine
CID 163575119
2,3-dimethyl-3a,4,5,6,7,7a-hexahydrobenzimidazol-5-amine
CID 83864704

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydro-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 1,2,3,4-tetrahydro-1,3,5-triazine-2,4,6-triamine (CID 90706888) is 1,2,3,4-tetrahydro-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 1,2,3,4-tetrahydro-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 1,2,3,4-tetrahydro-1,3,5-triazine-2,4,6-triamine is NC1=NC(N)NC(N)N1.
What is the InChIKey of 1,2,3,4-tetrahydro-1,3,5-triazine-2,4,6-triamine?
The InChIKey is NASWSVOEPBZNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N6/c4-1-7-2(5)9-3(6)8-1/h1-2,7H,4-5H2,(H3,6,8,9).
What are the key properties of 1,2,3,4-tetrahydro-1,3,5-triazine-2,4,6-triamine?
1,2,3,4-tetrahydro-1,3,5-triazine-2,4,6-triamine has a molecular weight of 130.16 g/mol, XLogP of -3.02, 0 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydro-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 90706888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).